N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine

C51H31N — CID 156664798

IUPACN-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3ccccc3c2)c1
InChIInChI=1S/C51H31N/c1-2-13-34-29-37(26-25-32(34)11-1)52(36-16-7-15-35(30-36)40-19-8-14-33-12-3-4-17-39(33)40)38-27-28-42-44-21-10-23-46-45-22-9-20-43-41-18-5-6-24-47(41)51(49(43)45,50(44)46)48(42)31-38/h1-31H
InChIKeyRYBGFZSMWHNNOB-UHFFFAOYSA-N
MW657.82 g/mol
LogP13.45
Rot. Bonds4

About N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine

N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine (PubChem CID 156664798) has the molecular formula C51H31N and a molecular weight of 657.82 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
PubChem CID156664798
Molecular FormulaC51H31N
Molecular Weight657.82 g/mol
Exact Mass657.25
IUPAC NameN-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3ccccc3c2)c1
InChIInChI=1S/C51H31N/c1-2-13-34-29-37(26-25-32(34)11-1)52(36-16-7-15-35(30-36)40-19-8-14-33-12-3-4-17-39(33)40)38-27-28-42-44-21-10-23-46-45-22-9-20-43-41-18-5-6-24-47(41)51(49(43)45,50(44)46)48(42)31-38/h1-31H
InChIKeyRYBGFZSMWHNNOB-UHFFFAOYSA-N
XLogP13.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
CID 170421355
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
N-naphthalen-2-yl-N-(2-naphthalen-2-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
CID 156664662
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
N,7'-dinaphthalen-1-yl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 144583894
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766671
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167176670
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
CID 164748052
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788327
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The IUPAC name of N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine (CID 156664798) is N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine is c1cc(-c2cccc3ccccc23)cc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The InChIKey is RYBGFZSMWHNNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N/c1-2-13-34-29-37(26-25-32(34)11-1)52(36-16-7-15-35(30-36)40-19-8-14-33-12-3-4-17-39(33)40)38-27-28-42-44-21-10-23-46-45-22-9-20-43-41-18-5-6-24-47(41)51(49(43)45,50(44)46)48(42)31-38/h1-31H.
What are the key properties of N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine has a molecular weight of 657.82 g/mol, XLogP of 13.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine is sourced from PubChem (CID 156664798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).